methyl 3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C15H17N3O2S/c1-18-13(11-6-7-11)16-17-15(18)21-9-10-4-3-5-12(8-10)14(19)20-2/h3-5,8,11H,6-7,9H2,1-2H3